1,8-diazaspiro[4.5]decan-4-one;hydrochloride

C8H15ClN2O — CID 115018345

IUPAC1,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1CCNC12CCNCC2
InChIInChI=1S/C8H14N2O.ClH/c11-7-1-4-10-8(7)2-5-9-6-3-8;/h9-10H,1-6H2;1H
InChIKeySDYUMDRYQFPQJD-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.09
Rot. Bonds

About 1,8-diazaspiro[4.5]decan-4-one;hydrochloride

1,8-diazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 115018345) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID115018345
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1CCNC12CCNCC2
InChIInChI=1S/C8H14N2O.ClH/c11-7-1-4-10-8(7)2-5-9-6-3-8;/h9-10H,1-6H2;1H
InChIKeySDYUMDRYQFPQJD-UHFFFAOYSA-N
XLogP0.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83826980
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 86812140
7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
CID 115017831
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 66741717
3,9-diazaspiro[5.5]undecane-2,5-dione
CID 59929903
2,6-diazaspiro[4.5]decan-9-one
CID 115011980
1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
CID 68754203
1-azadispiro[2.1.55.33]tridecan-13-one
CID 135365228
2-sulfanyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 175854688
2-ethyl-2-methylpyrrolidin-3-one
CID 83826189
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115

Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1,8-diazaspiro[4.5]decan-4-one;hydrochloride (CID 115018345) is 1,8-diazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1,8-diazaspiro[4.5]decan-4-one;hydrochloride is Cl.O=C1CCNC12CCNCC2.
What is the InChIKey of 1,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is SDYUMDRYQFPQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c11-7-1-4-10-8(7)2-5-9-6-3-8;/h9-10H,1-6H2;1H.
What are the key properties of 1,8-diazaspiro[4.5]decan-4-one;hydrochloride?
1,8-diazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 115018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).